Avant-garde Materials Simulation

Scientific Software Developer


Avant-garde Materials Simulation is the world-leading provider of Software for Organic Crystal Structure Prediction (CSP). We have successfully competed in the last three CSP blind tests and are pioneering other areas of predictive materials modelling. We rapidly deploy new technology to leading pharmaceutical companies.
We put the principles of sustainable development into practice and offer an industrial working environment with an academic touch. We are a multicultural team that develops software for a global market.

Our offices are located in Freiburg (Merzhausen), Germany, on the border of the Black Forest. The city has a rich student life with a variety of places to unwind after work. The residential areas offer green, calm neighborhoods that are ideal for healthy lifestyles and families with children.
Close to France and Switzerland, the Black Forest is one of Germany´s most touristic regions known for the beauty of its lakes and landscapes. In the wintertime the region offers good opportunities for alpine and cross-country skiing.

The position is permanent. You will report to Dr. Marcus Neumann, the Science and IT Director and to Elsa Gheziel M.A., the Human Resources and Communication Director.

Your Responsibilities

AMS´GRACE software is the most scientifically advanced software package for Crystal Structure Prediction (CSP). You will participate in expanding GRACE in various directions, including but not limited to cloud computing, machine learning and high-level ab initio calculations.

Starting date: Q1, Q2 2021.


• PhD in physics, chemistry, computer science, or a related field;
• Very strong molecular modelling background;
• You have gathered experience in at least one of the following domains:

- Development of ab initio software;
- Scientific computing in the cloud;
- Machine learning applied to atomistic model systems.

Soft skills: do you share our vision and values?

• You are committed to reduce the carbon footprint at work and care about Ethics in Business;
• You are a team-player;
• Can-do attitude;
• You readily accept guidance by senior colleagues;
• You are rigorous, precise and solution-oriented;
• You can execute complex sub-projects independently;
• You are pragmatic and willing to accept the constraints of a historically grown code;
• You have a genuine interest in the development of efficient computer algorithms;
• Intercultural awareness: our customers and teams come from all over the world. Thus it
is important to be able to adapt to different mentalities and cultural contexts.

Hard skills: are you familiar with …?

• Object oriented and template programming in C++;
• Writing parallel programs;
• Running calculations on HPC clusters or the cloud;
• Energy calculations based on ab initio methods, on force fields or both;
• You have a strong molecular modelling background;
• You are fluent in written and spoken scientific English.

What we offer:
a workplace where you are given the opportunity to shape your future

We are a small family business with short communication paths. The impact of your work is immediately visible and directly supports other team members. We aim to provide a professional environment in which people from all over the world at different stages of their lives can find the work-life balance that suits them. Because we care about our employees, our customers´needs, scientific progress and the planet, working at AMS does have a meaning.
• Flexible work time management around core hours;
• Training for job specific topics as well as to grow your own potential;
• Yearly: 25 days paid leave + about 10 days public holidays;
• Equal opportunity policy;
• Help with settling in if you are currently located outside Germany.

Our recruitment process

AMS is an equal opportunities recruiter and we welcome applications from all suitably skilled applicants, regardless of their race, sex, disabilities, religion/beliefs, sexual orientation or age.

Currently our response time is delayed due to both COVID-19 and the integration of a new ATS to streamline our recruitment process

• First of all: go to our Application Form. Since we take security very seriously, it is useless to send us a mail with a cv : we never open attachments from unknown sources. Let us know which position you are applying for: first copy and paste the job title into the field Letter of motivation, and then write the cover letter addressed to our Human Resources Director. Please indicate your earliest availability.

• What matters most to us, beyond your skills and experience, is your mindset. Tell us more about your soft skills in your cover letter!
• We will first collect applications until the beginning of April, and then start to give you feedback via Email.
• Upon successful completion of a Skype interview, you will be invited to Freiburg for a series of interviews and tests with AMS staff.

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